N-(2,6-dimethylphenyl)-2-[N-methyl-4-nitro-3-(pyrrolidine-1-carbonyl)anilino]acetamide

C22H26N4O4 — CID 133334354

IUPACN-(2,6-dimethylphenyl)-2-[N-methyl-4-nitro-3-(pyrrolidine-1-carbonyl)anilino]acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1
InChIInChI=1S/C22H26N4O4/c1-15-7-6-8-16(2)21(15)23-20(27)14-24(3)17-9-10-19(26(29)30)18(13-17)22(28)25-11-4-5-12-25/h6-10,13H,4-5,11-12,14H2,1-3H3,(H,23,27)
InChIKeySZLICVQLPZCYLP-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.52
Rot. Bonds6

About N-(2,6-dimethylphenyl)-2-[N-methyl-4-nitro-3-(pyrrolidine-1-carbonyl)anilino]acetamide

N-(2,6-dimethylphenyl)-2-[N-methyl-4-nitro-3-(pyrrolidine-1-carbonyl)anilino]acetamide (PubChem CID 133334354) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[N-methyl-4-nitro-3-(pyrrolidine-1-carbonyl)anilino]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[N-methyl-4-nitro-3-(pyrrolidine-1-carbonyl)anilino]acetamide
PubChem CID133334354
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC NameN-(2,6-dimethylphenyl)-2-[N-methyl-4-nitro-3-(pyrrolidine-1-carbonyl)anilino]acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1
InChIInChI=1S/C22H26N4O4/c1-15-7-6-8-16(2)21(15)23-20(27)14-24(3)17-9-10-19(26(29)30)18(13-17)22(28)25-11-4-5-12-25/h6-10,13H,4-5,11-12,14H2,1-3H3,(H,23,27)
InChIKeySZLICVQLPZCYLP-UHFFFAOYSA-N
XLogP3.52
TPSA95.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2,6-dimethylphenyl)-2-[N-methyl-4-nitro-3-(pyrrolidine-1-carbonyl)anilino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,6-dimethylphenyl)-2-(3-methoxy-N-methyl-4-nitroanilino)acetamide
CID 133334396
[5-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-2-nitrophenyl]-pyrrolidin-1-ylmethanone
CID 55883107
[5-[(2,4-difluorophenyl)methyl-methylamino]-2-nitrophenyl]-pyrrolidin-1-ylmethanone
CID 51120965
[5-[methyl(oxan-2-ylmethyl)amino]-2-nitrophenyl]-pyrrolidin-1-ylmethanone
CID 133271715
(5-methyl-2-nitrophenyl)-pyrrolidin-1-ylmethanone
CID 65463039
[5-[2-(4-methoxyphenoxy)ethyl-methylamino]-2-nitrophenyl]-pyrrolidin-1-ylmethanone
CID 87023524
N-(2,6-dimethylphenyl)-2-[methyl-(3-nitropyridin-1-ium-2-yl)amino]acetamide
CID 9195246
azepan-1-yl-(5-hydroxy-2-nitrophenyl)methanone
CID 102740374
4-methyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-3-nitrobenzenesulfonamide
CID 43069459
N-(2,6-dimethylphenyl)-2-[4-(3-methyl-4-nitrobenzoyl)piperazin-1-ium-1-yl]acetamide
CID 9021440
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 9431366
5-[(1-hydroxycyclopentyl)methyl-methylamino]-2-nitrobenzoic acid
CID 114949869

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[N-methyl-4-nitro-3-(pyrrolidine-1-carbonyl)anilino]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[N-methyl-4-nitro-3-(pyrrolidine-1-carbonyl)anilino]acetamide (CID 133334354) is N-(2,6-dimethylphenyl)-2-[N-methyl-4-nitro-3-(pyrrolidine-1-carbonyl)anilino]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[N-methyl-4-nitro-3-(pyrrolidine-1-carbonyl)anilino]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[N-methyl-4-nitro-3-(pyrrolidine-1-carbonyl)anilino]acetamide is Cc1cccc(C)c1NC(=O)CN(C)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[N-methyl-4-nitro-3-(pyrrolidine-1-carbonyl)anilino]acetamide?
The InChIKey is SZLICVQLPZCYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-15-7-6-8-16(2)21(15)23-20(27)14-24(3)17-9-10-19(26(29)30)18(13-17)22(28)25-11-4-5-12-25/h6-10,13H,4-5,11-12,14H2,1-3H3,(H,23,27).
What are the key properties of N-(2,6-dimethylphenyl)-2-[N-methyl-4-nitro-3-(pyrrolidine-1-carbonyl)anilino]acetamide?
N-(2,6-dimethylphenyl)-2-[N-methyl-4-nitro-3-(pyrrolidine-1-carbonyl)anilino]acetamide has a molecular weight of 410.47 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[N-methyl-4-nitro-3-(pyrrolidine-1-carbonyl)anilino]acetamide is sourced from PubChem (CID 133334354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).